N4(streptamino),N2',6'(gluco)-tris(tertBuyloxycarbonyl)-N3"(gluco)-trifluoroacetyl Tobramycin
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기본 정보
- CAS
502610-98-2- 표준 SMILES
CC(C)(C)OC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(=O)C(F)(F)F)[C@H]3O)[C@H](N)C[C@@H]2NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O- InChIKey
GNBCNYXNELIDKF-LOBSLKQUSA-N- 분자식
- C35H60F3N5O16
- 평균 분자량
- 863.9 g/mol
이름 및 식별자
- 우선 이름
- N4(streptamino),N2',6'(gluco)-tris(tertBuyloxycarbonyl)-N3"(gluco)-trifluoroacetyl Tobramycin
- IUPAC
- tert-butyl N-[(1S,2R,3R,4S,5R)-5-amino-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3-hydroxy-2-[(2R,3R,5S,6R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxycyclohexyl]carbamate
- 영어명
- O-3-Deoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N3-[(1,1-dimethylethoxy)carbonyl]-D-streptamine
- 분자식
- C35H60F3N5O16
- 분자량
- 863.88
이름 및 동의어
502610-98-2N4(streptamino),N2',6'(gluco)-tris(tertBuyloxycarbonyl)-N3"(gluco)-trifluoroacetyl TobramycinO-3-Deoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N3-[(1,1-dimethylethoxy)carbonyl]-D-streptamineD-Streptamine, O-3-deoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N3-[(1,1-dimethylethoxy)carbonyl]-
데이터베이스 식별자
- CAS
502610-98-2
물성
구조 계산 물성보충 중
- XLogP
- 0.1
- 극성 표면적
- 308 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,440
물리화학적 성질
- 끓는 점
- 973.1 · 973.1±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.14 · 9.14±0.70(Predicted)
화학 및 산업
응용 분야
용도O-3-Deoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis[[(1,1-dimethylethoxy)carbonyl]amino]-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N3-[(1,1-dimethylethoxy)carbonyl]-D-streptamine is an intermediate used in the synthesis of 1-N-Ureido Tobramycin Tetrahydrochloride Salt (U824490), which is the HCl salt form of 1-N-Ureido Tobramycin which is a related compound of Tobramycin (T524000), single factor antibiotic comprising about 10% of nebramycin, the aminoglycosidic antibiotic complex produced by Streptomyces tenebrarius. Antibacterial.
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